Published November 14, 1981
| Version Published
Journal Article
Open
Application of a new variational functional for electron-molecule collisions: an extension of the Schwinger variational principle
Creators
Abstract
Discusses a variational functional for scattering theory which has been recently proposed by Takatsuka and McKoy (1980). It is shown that this functional can provide results with a purely discrete set of functions which are approximately equivalent to those obtained by Lucchese et al. (1980) from the first iteration of the iterative Schwinger method. Applications to the scattering of electrons by systems including CO+ and LiH illustrate this relationship and other features of the method.
Additional Information
© 1981 The Institute of Physics. Received 18 June 1981. We would like to thank Robert Lucchese for many useful discussions and assistance during the computational course of this work. One of us (LMT) acknowledges the financial support of FAPESP (Sdo Paulo, Brasil). This research is based upon work supported by the National Science Foundation under grant No CHE79-15807. The research reported in this paper made use of the Dreyfus-NSF Theoretical Chemistry Computer which was funded through grants from the Camille and Henry Dreyfus Foundation, the National Science Foundation (grant No CHE78-20235) and the Sloan Fund of the California Institute of Technology. This research was also supported in part by an Institutional Grant from the United States Department of Energy, No EY-76-G-03-1305. Noyes Laboratory of Chemical Physics, Contribution no 6457.Attached Files
Published - MUTjpb81.pdf
Files
MUTjpb81.pdf
Files
(560.8 kB)
| Name | Size | Download all |
|---|---|---|
|
md5:08f8a7f4e82f2515a9d8ff7136360b81
|
560.8 kB | Preview Download |
Additional details
Identifiers
- Eprint ID
- 1732
- Resolver ID
- CaltechAUTHORS:MUTjpb81
Dates
- Created
-
2006-02-14Created from EPrint's datestamp field
- Updated
-
2022-07-12Created from EPrint's last_modified field
Caltech Custom Metadata
- Other Numbering System Name
- Arthur Amos Noyes Laboratory of Chemical Physics
- Other Numbering System Identifier
- 6457